# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02065832
_cell_length_b   18.39613722
_cell_length_c   52.07533537
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al48 Ni144'
_cell_volume   4809.71543857
_cell_formula_units_Z   48
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al1  1  0.564383  0.152995  0.302116  1
  Al  Al2  1  0.564383  0.849053  0.261851  1
  Al  Al3  1  0.564383  0.457160  0.338192  1
  Al  Al4  1  0.064383  0.322811  0.331321  1
  Al  Al5  1  0.064383  0.018907  0.295337  1
  Al  Al6  1  0.064383  0.714473  0.255602  1
  Al  Al7  1  0.064383  0.214473  0.255602  1
  Al  Al8  1  0.064383  0.822811  0.331321  1
  Al  Al9  1  0.064383  0.518907  0.295337  1
  Al  Al10  1  0.564383  0.349053  0.261851  1
  Al  Al11  1  0.564383  0.957160  0.338192  1
  Al  Al12  1  0.564383  0.652995  0.302116  1
  Al  Al13  1  0.564383  0.065215  0.412323  1
  Al  Al14  1  0.564383  0.761377  0.375289  1
  Al  Al15  1  0.564383  0.369174  0.449379  1
  Al  Al16  1  0.064383  0.234470  0.442771  1
  Al  Al17  1  0.064383  0.930460  0.405678  1
  Al  Al18  1  0.064383  0.626751  0.368828  1
  Al  Al19  1  0.064383  0.126751  0.368828  1
  Al  Al20  1  0.064383  0.734470  0.442771  1
  Al  Al21  1  0.064383  0.430460  0.405678  1
  Al  Al22  1  0.564383  0.261377  0.375289  1
  Al  Al23  1  0.564383  0.869174  0.449379  1
  Al  Al24  1  0.564383  0.565215  0.412323  1
  Al  Al25  1  0.564383  0.977051  0.523494  1
  Al  Al26  1  0.564383  0.673040  0.486401  1
  Al  Al27  1  0.564383  0.280759  0.560344  1
  Al  Al28  1  0.064383  0.146133  0.553883  1
  Al  Al29  1  0.064383  0.842296  0.516849  1
  Al  Al30  1  0.064383  0.538336  0.479793  1
  Al  Al31  1  0.064383  0.038336  0.479793  1
  Al  Al32  1  0.064383  0.646133  0.553883  1
  Al  Al33  1  0.064383  0.342296  0.516849  1
  Al  Al34  1  0.564383  0.173040  0.486401  1
  Al  Al35  1  0.564383  0.780759  0.560344  1
  Al  Al36  1  0.564383  0.477051  0.523494  1
  Al  Al37  1  0.564383  0.888603  0.633835  1
  Al  Al38  1  0.564383  0.584699  0.597851  1
  Al  Al39  1  0.564383  0.193037  0.673570  1
  Al  Al40  1  0.064383  0.058457  0.667321  1
  Al  Al41  1  0.064383  0.754515  0.627056  1
  Al  Al42  1  0.064383  0.450350  0.590980  1
  Al  Al43  1  0.064383  0.950350  0.590980  1
  Al  Al44  1  0.064383  0.558457  0.667321  1
  Al  Al45  1  0.064383  0.254515  0.627056  1
  Al  Al46  1  0.564383  0.084699  0.597851  1
  Al  Al47  1  0.564383  0.693037  0.673570  1
  Al  Al48  1  0.564383  0.388603  0.633835  1
  Ni  Ni49  1  0.816707  0.073235  0.332089  1
  Ni  Ni50  1  0.815742  0.769093  0.294632  1
  Ni  Ni51  1  0.815717  0.467162  0.258954  1
  Ni  Ni52  1  0.064383  0.154164  0.300669  1
  Ni  Ni53  1  0.064383  0.850768  0.264868  1
  Ni  Ni54  1  0.064383  0.456695  0.337999  1
  Ni  Ni55  1  0.312058  0.073235  0.332089  1
  Ni  Ni56  1  0.313024  0.769093  0.294632  1
  Ni  Ni57  1  0.313048  0.467162  0.258954  1
  Ni  Ni58  1  0.314561  0.207245  0.338094  1
  Ni  Ni59  1  0.318244  0.902698  0.300708  1
  Ni  Ni60  1  0.317290  0.597898  0.264363  1
  Ni  Ni61  1  0.564383  0.322674  0.331659  1
  Ni  Ni62  1  0.564383  0.019611  0.295305  1
  Ni  Ni63  1  0.564383  0.712818  0.260004  1
  Ni  Ni64  1  0.814205  0.207245  0.338094  1
  Ni  Ni65  1  0.810521  0.902698  0.300708  1
  Ni  Ni66  1  0.811476  0.597898  0.264363  1
  Ni  Ni67  1  0.317290  0.097898  0.264363  1
  Ni  Ni68  1  0.314561  0.707245  0.338094  1
  Ni  Ni69  1  0.318244  0.402698  0.300708  1
  Ni  Ni70  1  0.564383  0.212818  0.260004  1
  Ni  Ni71  1  0.564383  0.822674  0.331659  1
  Ni  Ni72  1  0.564383  0.519611  0.295305  1
  Ni  Ni73  1  0.811476  0.097898  0.264363  1
  Ni  Ni74  1  0.814205  0.707245  0.338094  1
  Ni  Ni75  1  0.810521  0.402698  0.300708  1
  Ni  Ni76  1  0.815742  0.269093  0.294632  1
  Ni  Ni77  1  0.815717  0.967162  0.258954  1
  Ni  Ni78  1  0.816707  0.573235  0.332089  1
  Ni  Ni79  1  0.064383  0.350768  0.264868  1
  Ni  Ni80  1  0.064383  0.956695  0.337999  1
  Ni  Ni81  1  0.064383  0.654164  0.300669  1
  Ni  Ni82  1  0.313024  0.269093  0.294632  1
  Ni  Ni83  1  0.313048  0.967162  0.258954  1
  Ni  Ni84  1  0.312058  0.573235  0.332089  1
  Ni  Ni85  1  0.815658  0.984842  0.442957  1
  Ni  Ni86  1  0.815589  0.681035  0.405968  1
  Ni  Ni87  1  0.815680  0.376890  0.368809  1
  Ni  Ni88  1  0.064383  0.064992  0.412157  1
  Ni  Ni89  1  0.064383  0.761297  0.375093  1
  Ni  Ni90  1  0.064383  0.368975  0.449188  1
  Ni  Ni91  1  0.313108  0.984842  0.442957  1
  Ni  Ni92  1  0.313177  0.681035  0.405968  1
  Ni  Ni93  1  0.313086  0.376890  0.368809  1
  Ni  Ni94  1  0.315680  0.118708  0.449155  1
  Ni  Ni95  1  0.315679  0.814831  0.412120  1
  Ni  Ni96  1  0.315661  0.510786  0.375063  1
  Ni  Ni97  1  0.564383  0.234672  0.442963  1
  Ni  Ni98  1  0.564383  0.930666  0.405871  1
  Ni  Ni99  1  0.564383  0.626935  0.368905  1
  Ni  Ni100  1  0.813085  0.118708  0.449155  1
  Ni  Ni101  1  0.813087  0.814831  0.412120  1
  Ni  Ni102  1  0.813105  0.510786  0.375063  1
  Ni  Ni103  1  0.315661  0.010786  0.375063  1
  Ni  Ni104  1  0.315680  0.618708  0.449155  1
  Ni  Ni105  1  0.315679  0.314831  0.412120  1
  Ni  Ni106  1  0.564383  0.126935  0.368905  1
  Ni  Ni107  1  0.564383  0.734672  0.442963  1
  Ni  Ni108  1  0.564383  0.430666  0.405871  1
  Ni  Ni109  1  0.813105  0.010786  0.375063  1
  Ni  Ni110  1  0.813085  0.618708  0.449155  1
  Ni  Ni111  1  0.813087  0.314831  0.412120  1
  Ni  Ni112  1  0.815589  0.181035  0.405968  1
  Ni  Ni113  1  0.815680  0.876890  0.368809  1
  Ni  Ni114  1  0.815658  0.484842  0.442957  1
  Ni  Ni115  1  0.064383  0.261297  0.375093  1
  Ni  Ni116  1  0.064383  0.868975  0.449188  1
  Ni  Ni117  1  0.064383  0.564992  0.412157  1
  Ni  Ni118  1  0.313177  0.181035  0.405968  1
  Ni  Ni119  1  0.313086  0.876890  0.368809  1
  Ni  Ni120  1  0.313108  0.484842  0.442957  1
  Ni  Ni121  1  0.815661  0.896724  0.554109  1
  Ni  Ni122  1  0.815679  0.592679  0.517052  1
  Ni  Ni123  1  0.815680  0.288803  0.480017  1
  Ni  Ni124  1  0.064383  0.976845  0.523301  1
  Ni  Ni125  1  0.064383  0.672838  0.486209  1
  Ni  Ni126  1  0.064383  0.280576  0.560267  1
  Ni  Ni127  1  0.313105  0.896724  0.554109  1
  Ni  Ni128  1  0.313087  0.592679  0.517052  1
  Ni  Ni129  1  0.313085  0.288803  0.480017  1
  Ni  Ni130  1  0.315680  0.030620  0.560363  1
  Ni  Ni131  1  0.315589  0.726475  0.523204  1
  Ni  Ni132  1  0.315658  0.422669  0.486215  1
  Ni  Ni133  1  0.564383  0.146214  0.554079  1
  Ni  Ni134  1  0.564383  0.842518  0.517015  1
  Ni  Ni135  1  0.564383  0.538535  0.479984  1
  Ni  Ni136  1  0.813086  0.030620  0.560363  1
  Ni  Ni137  1  0.813177  0.726475  0.523204  1
  Ni  Ni138  1  0.813108  0.422669  0.486215  1
  Ni  Ni139  1  0.315658  0.922669  0.486215  1
  Ni  Ni140  1  0.315680  0.530620  0.560363  1
  Ni  Ni141  1  0.315589  0.226475  0.523204  1
  Ni  Ni142  1  0.564383  0.038535  0.479984  1
  Ni  Ni143  1  0.564383  0.646214  0.554079  1
  Ni  Ni144  1  0.564383  0.342518  0.517015  1
  Ni  Ni145  1  0.813108  0.922669  0.486215  1
  Ni  Ni146  1  0.813086  0.530620  0.560363  1
  Ni  Ni147  1  0.813177  0.226475  0.523204  1
  Ni  Ni148  1  0.815679  0.092679  0.517052  1
  Ni  Ni149  1  0.815680  0.788803  0.480017  1
  Ni  Ni150  1  0.815661  0.396724  0.554109  1
  Ni  Ni151  1  0.064383  0.172838  0.486209  1
  Ni  Ni152  1  0.064383  0.780576  0.560267  1
  Ni  Ni153  1  0.064383  0.476845  0.523301  1
  Ni  Ni154  1  0.313087  0.092679  0.517052  1
  Ni  Ni155  1  0.313085  0.788803  0.480017  1
  Ni  Ni156  1  0.313105  0.396724  0.554109  1
  Ni  Ni157  1  0.817290  0.809612  0.664809  1
  Ni  Ni158  1  0.818244  0.504812  0.628465  1
  Ni  Ni159  1  0.814561  0.200265  0.591078  1
  Ni  Ni160  1  0.064383  0.887899  0.633867  1
  Ni  Ni161  1  0.064383  0.584837  0.597513  1
  Ni  Ni162  1  0.064383  0.194692  0.669168  1
  Ni  Ni163  1  0.311476  0.809612  0.664809  1
  Ni  Ni164  1  0.310521  0.504812  0.628465  1
  Ni  Ni165  1  0.314205  0.200265  0.591078  1
  Ni  Ni166  1  0.315717  0.940348  0.670218  1
  Ni  Ni167  1  0.315742  0.638418  0.634540  1
  Ni  Ni168  1  0.316707  0.334275  0.597084  1
  Ni  Ni169  1  0.564383  0.056742  0.664304  1
  Ni  Ni170  1  0.564383  0.753346  0.628503  1
  Ni  Ni171  1  0.564383  0.450815  0.591173  1
  Ni  Ni172  1  0.813048  0.940348  0.670218  1
  Ni  Ni173  1  0.813024  0.638418  0.634540  1
  Ni  Ni174  1  0.812058  0.334275  0.597084  1
  Ni  Ni175  1  0.316707  0.834275  0.597084  1
  Ni  Ni176  1  0.315717  0.440348  0.670218  1
  Ni  Ni177  1  0.315742  0.138418  0.634540  1
  Ni  Ni178  1  0.564383  0.950815  0.591173  1
  Ni  Ni179  1  0.564383  0.556742  0.664304  1
  Ni  Ni180  1  0.564383  0.253346  0.628503  1
  Ni  Ni181  1  0.812058  0.834275  0.597084  1
  Ni  Ni182  1  0.813048  0.440348  0.670218  1
  Ni  Ni183  1  0.813024  0.138418  0.634540  1
  Ni  Ni184  1  0.818244  0.004812  0.628465  1
  Ni  Ni185  1  0.814561  0.700265  0.591078  1
  Ni  Ni186  1  0.817290  0.309612  0.664809  1
  Ni  Ni187  1  0.064383  0.084837  0.597513  1
  Ni  Ni188  1  0.064383  0.694692  0.669168  1
  Ni  Ni189  1  0.064383  0.387899  0.633867  1
  Ni  Ni190  1  0.310521  0.004812  0.628465  1
  Ni  Ni191  1  0.314205  0.700265  0.591078  1
  Ni  Ni192  1  0.311476  0.309612  0.664809  1
